Exact Mass: 156.0607
Exact Mass Matches: 156.0607
Found 500 metabolites which its exact mass value is equals to given mass value 156.0607,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-Indoleacetonitrile
3-Indoleacetonitrile is a phytoalexin. Phytoalexins are antibiotics produced by plants that are under attack. Phytoalexins tend to fall into several classes including terpenoids, glycosteroids, and alkaloids; however, researchers often find it convenient to extend the definition to include all phytochemicals that are part of the plants defensive arsenal. Phytoalexins produced in plants act as toxins to the attacking organism. They may puncture the cell wall, delay maturation, disrupt metabolism, or prevent the reproduction of the pathogen in question. However, phytoalexins are often targeted to specific predators; a plant that has anti-insect phytoalexins may not have the ability to repel a fungal attack. 3-Indoleacetonitrile is common in cruciferous vegetables such as cabbage, cauliflower, broccoli, and Brussels sprouts. Dietary indoles in cruciferous vegetables induce cytochrome P450 enzymes and have prevented tumours in various animal models. Consumption of Brassica vegetables is associated with a reduced risk of cancer of the alimentary tract in animal models and human populations (PMID:15612779, 15884814, 2342128, 3014947, 3880668, 6334634, 6419397, 6426808, 6584878, 6725517, 6838646, 7123561). Myrosinase-induced hydrolysis product of indole glucosinolates, found in cabbage and other crucifers Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID I022 3-Indoleacetonitrile is an endogenous metabolite. 3-Indoleacetonitrile is an endogenous metabolite.
4-Imidazolone-5-propionic acid
4-Imidazolone-5-propanoate is a metabolite of histidine metabolism. It is produced from urocanic acid by the enzyme urocanate hydratase [EC:4.2.1.49]. 4-Imidazolone-5-propionic acid can spontaneously decay to 4-oxoglutaramate or formylisoglutamine. It is also converted to N-forminimo-L-glutamate by the enzyme imidazolonepropionase [EC:3.5.2.7]. [HMDB] 4-Imidazolone-5-propanoate is a metabolite of histidine metabolism. It is produced from urocanic acid by the enzyme urocanate hydratase [EC:4.2.1.49]. 4-Imidazolone-5-propionic acid can spontaneously decay to 4-oxoglutaramate or formylisoglutamine. It is also converted to N-forminimo-L-glutamate by the enzyme imidazolonepropionase [EC:3.5.2.7].
1-Naphthaldehyde
1-naphthaldehyde, also known as alpha-naphthal or 1-formylnaphthalene, is a member of the class of compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 1-naphthaldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-naphthaldehyde can be found in a number of food items such as black crowberry, devilfish, other soy product, and chinese bayberry, which makes 1-naphthaldehyde a potential biomarker for the consumption of these food products. This compound belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
2-Naphthaldehyde
This compound belongs to the family of Naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Imidazole lactate
Imidazolelactic acid is the component of normal human urine. (PMID: 5856262). histidine loading causes an increase in the excretion of imidazolelactic acid. (PMID: 6021220). During pregnancy the values for imidazolelactic acid in urine is increased 3-fold. An interaction of allergic reactions and anomalies in the metabolism of the sex hormones are considered to form the basis of the pregnancy-specific illnesses that were studied. (PMID: 5789877). Urinary excretion of imidazolelactic acid is also an indication for folic acid and vitamin B12 deficiency. (PMID: 4645251). Imidazolelactic acid is the component of normal human urine. (PMID: 5856262)
cis-1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate
5-Hydroxymethyl-4-methyluracil
5-Hydroxymethyl-6-methyl- 2,4-(1H,3H)-pyrimidinedione. Uracil derivative used in combination with toxic antibiotics to lessen their toxicity; also to stimulate leukopoiesis and immunity. [HMDB] 5-Hydroxymethyl-6-methyl- 2,4-(1H,3H)-pyrimidinedione. Uracil derivative used in combination with toxic antibiotics to lessen their toxicity; also to stimulate leukopoiesis and immunity.
8-Hydroxy-5,6-octadienoic acid
8-Hydroxy-5,6-octadienoic acid is found in fats and oils. 8-Hydroxy-5,6-octadienoic acid is present in the glycerides of Sapium sebiferum (Chinese tallowtree) in an enantiomeric for
2,5-Dimethyl-4-ethoxy-3(2H)-furanone
2,5-Dimethyl-4-ethoxy-3(2H)-furanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-[(Isopropylthio)methyl]furan
2-[(Isopropylthio)methyl]furan is a flavouring ingredien Flavouring ingredient
2,3-Methyleneglutaric acid
2,3-Methyleneglutaric acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide
5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide is classified as an imidazolyl carboxylic acid or an Imidazolyl carboxylic acid derivative. Imidazolyl carboxylic acids are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring. 5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide is considered to be soluble (in water) and acidic
2,2'-Bipyridine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D064449 - Sequestering Agents > D002614 - Chelating Agents
4-Hydroxy-3a,4-dihydro-7aH-furo[2,3-b]pyran-2(3H)-one
5-Hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
5-hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
5-(S)-(1-1(S)-hydroxybut-2-enyl))-dihydrofuran-2-one
4,4-Bipyridine
CONFIDENCE standard compound; INTERNAL_ID 524; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1413; ORIGINAL_PRECURSOR_SCAN_NO 1412 CONFIDENCE standard compound; INTERNAL_ID 524; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1401; ORIGINAL_PRECURSOR_SCAN_NO 1400 CONFIDENCE standard compound; INTERNAL_ID 524; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1408; ORIGINAL_PRECURSOR_SCAN_NO 1407 CONFIDENCE standard compound; INTERNAL_ID 524; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1402; ORIGINAL_PRECURSOR_SCAN_NO 1401 CONFIDENCE standard compound; INTERNAL_ID 524; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1420; ORIGINAL_PRECURSOR_SCAN_NO 1418 CONFIDENCE standard compound; INTERNAL_ID 524; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1403; ORIGINAL_PRECURSOR_SCAN_NO 1401
2,2-BIPYRIDINE
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D064449 - Sequestering Agents > D002614 - Chelating Agents
ETHYL 2-OXO-2,3-DIHYDRO-1H-IMIDAZOLE-4-CARBOXYLATE
2-hept-1-ene-3,5-diynylfuran|2-[(1E)-hept-1-ene-3,5-diynyl]furan
6alpha-hydroxy-3-methoxy-4alpha-methyl-2-cyclohexen-1-one
4-(Hydroxymethyl)-3-methoxy-5-methylcyclopent-2-enone
(5R)-(2E)-5-hydroxy-2-methyl-hepta-2-ene-1,6-dione
Indole-3-acetonitrile
A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 1H-indol-3-yl group. IPB_RECORD: 2661; CONFIDENCE confident structure
3-Indoleacetonitrile
3-Indoleacetonitrile is an endogenous metabolite. 3-Indoleacetonitrile is an endogenous metabolite.
2,2-Dipyridyl
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D064449 - Sequestering Agents > D002614 - Chelating Agents CONFIDENCE standard compound; INTERNAL_ID 8162
5,5-DimethylBarbituric Acid
CONFIDENCE standard compound; INTERNAL_ID 249; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4668; ORIGINAL_PRECURSOR_SCAN_NO 4666 CONFIDENCE standard compound; INTERNAL_ID 249; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4666; ORIGINAL_PRECURSOR_SCAN_NO 4665 CONFIDENCE standard compound; INTERNAL_ID 249; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4689; ORIGINAL_PRECURSOR_SCAN_NO 4687 CONFIDENCE standard compound; INTERNAL_ID 249; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4687; ORIGINAL_PRECURSOR_SCAN_NO 4686 CONFIDENCE standard compound; INTERNAL_ID 249; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4764; ORIGINAL_PRECURSOR_SCAN_NO 4763 CONFIDENCE standard compound; INTERNAL_ID 249; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4680; ORIGINAL_PRECURSOR_SCAN_NO 4679
Spiro[cyclopropane-1,6(7H)-[1H,3H,5H]pyrazolo[1,2-c][1,3,4]thiadiazole] (9CI)
1H-Imidazole-5-carboxylicacid,2-methoxy-1-methyl-(9CI)
1H-1,2,3-Triazole-4-carboxylic acid,5-amino-,ethyl ester
5-[hydroxy(methoxy)methylidene]-3-methylimidazol-4-one
4-Oxazolecarboxylicacid,2-(aminomethyl)-,methylester(9CI)
1-Cyclopentene-1-carboxylicacid,3-hydroxy-2-methyl-,methylester,(3S)
6,7-Dihydro-5H-pyrrolo[3,4-b]pyridine Dihydrochloride
2-(3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)ACETIC ACID
Urea,N-[(2,3-dihydro-2-oxo-1H-imidazol-4-yl)methyl]-
1H-Tetrazole-5-carboxylicacid,1-methyl-,ethylester(9CI)
1H-Imidazole-4-carboxylicacid,1-(2-hydroxyethyl)-(9CI)
1H-Pyrazole-3-carboxylicacid, 4,5-dihydro-5-oxo-, ethyl ester
Methyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate
5-Hydroxymethyl-1H-imidazole-4-carboxylic acid methyl ester
1H-Imidazole-4-carboxylicacid,5-ethyl-2,3-dihydro-2-oxo-(9CI)
1-Cyclohexene-1-carboxylicacid,4-hydroxy-3-oxo-,(S)-(9CI)
(3R,4R)-TERT-BUTYL3-(BENZYLAMINO)-4-HYDROXYPYRROLIDINE-1-CARBOXYLATE
(2-OXO-2-P-TOLYL-ETHYL)-CARBAMICACIDTERT-BUTYLESTER
5-Methyl-1,3,4-oxadiazole-2-carboxylic acid ethyl ester
2,2-DIMETHYL-5-VINYL-[1,3]DIOXOLANE-4-CARBALDEHYDE
methyl 3-(methoxymethylidene)cyclobutanecarboxylate
2H-Pyran-2-carboxylicacid, 3,4-dihydro-, ethyl ester
(1R,5S,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid
METHYL 2-((1S,4S)-4-HYDROXYCYCLOPENT-2-ENYL)ACETATE
Cyclo propane propanoic acid,a-methyl-b-oxo-,methyl ester
POLY(MELAMINE-CO-FORMALDEHYDE), METHYLATED/BUTYLATED (55/45)
1H-Imidazole-2-carboxylicacid,1-(methoxymethyl)-(9CI)
2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetic acid
1H-Imidazole-4-carboxylicacid,2-(methoxymethyl)-(9CI)
2,3-dihydro-1H-pyrrolo[3,4-c]pyridine dihydrochloride
2-Oxabicyclo[2.2.1]heptane-5-carboxylic acid, 3-oxo-, (1R,4R,5R)- cinchonidine salt
2,3-Dihydro-1H-pyrrolo[3,2-b]pyridine hydrochloride
methyl (1r,4r)-4-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
2-[dimethyl(trideuteriomethyl)azaniumyl]acetate,hydrochloride
Methyl 3-Hydroxy-1-Methyl-1H-Pyrazole-5-Carboxylate
1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
B-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]boronic acid
methyl [(1r,4s)-4-hydroxycyclopent-2-en-1-yl]acetate
methyl (1s,4r)-4-(hydroxymethyl)cyclopent-2-ene-1-carboxylate
(R,R)-ETHYLENEBIS-(4,5,6,7-TETRAHYDRO-1-INDENYL)-DIMETHYLTITANIUM(IV)
5-Isoxazolecarboxylicacid,4-amino-3-methyl-,methylester(9CI)
5,6-Dihydroxycyclohexa-1,3-diene-1-carboxylic acid
[(s)-3-Oxocyclohexyl]acetic acid
An oxo monocarboxylic acid that is acetic acid in with one of the methyl hydrogens is replaced by a 3-oxocyclohexyl group (the S-enantiomer).
(1S,6R)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid
[(2s)-3-Methyl-5-Oxo-2,5-Dihydrofuran-2-Yl]acetic Acid
(2S)-2-ammonio-3-(1H-imidazol-3-ium-4-yl)propanoate
(2R)-2-ammonio-3-(1H-imidazol-3-ium-4-yl)propanoate
4-Hydroxy-3,3a,4,6-tetrahydrouro[3,2-c]pyran-2-one
(S)-3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid
3-(4-oxo-4,5-Dihydro-1H-imidazol-5-yl)propanoic acid
An imidazol-4-one having a 2-carboxyethyl substituent at the 5-position.
(5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
(1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid
3-(imidazol-5-yl)lactic acid
A 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group.
(3R,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1-carboxylic acid
(E)-ascladiol
A butenolide that is furan-2(5H)-one which is substituted by a hydroxymethyl group at position 4 and a 2-hydroxyethylidene group at position 5 (the 5E isomer). A direct precursor of patulin in cell-free preparations of Penicillium urticae patulin-minus mutants J1 and S11, but not S15.
(+)-isoepoxydon
A cyclic ketone that is (-)-phyllostine in which the carbonyl group which is furthest from the hydroxymethyl substituent has been formally reduced to give the corresponding secondary alcohol with S configuration. A metabolite of the patulin pathway in Penicillium urticae.
2-isopropylmaleate(2-)
Dicarboxylate anion of 2-isopropylmaleic acid; major species at pH 7.3.
2-Naphthaldehyde
A naphthaldehyde that is naphthalene substituted by a formyl group at position 2.
2-Hydroxy-6-oxo-2,4-heptadienoic acid
An alpha,beta-unsaturated monocarboxylic acid that is 2,4-heptadienoic acid substituted by hydroxy and oxo groups at positions 2 and 6 respectively.
(2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid
A 2-hydroxy-6-oxohepta-2,4-dienoic acid which has 2Z,4E configuration.
3-(imidazol-1-yl)lactic acid
An imidazolyl carboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by an imidazol-1-yl group.
(5s,6s)-5,6-dihydroxy-3,6-dimethylcyclohex-2-en-1-one
(1r,5r,6r)-5-hydroxy-4-methoxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
(1s,5r,6s)-4,5-dihydroxy-3-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
(2s)-2,4-dimethyl-5-oxo-2h-furan-3-carboxylic acid
(5r,6s)-5,6-dihydroxy-3,6-dimethylcyclohex-2-en-1-one
(3as,4r,7as)-4-hydroxy-3h,3ah,4h,7ah-furo[2,3-b]pyran-2-one
5-(3-hydroxyphenyl)-1,3-pentadiyne
{"Ingredient_id": "HBIN011032","Ingredient_name": "5-(3-hydroxyphenyl)-1,3-pentadiyne","Alias": "NA","Ingredient_formula": "C11H8O","Ingredient_Smile": "C#CC#CCC1=CC(=CC=C1)O","Ingredient_weight": "156.18","OB_score": "NA","CAS_id": "75911-08-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7734","PubChem_id": "101409548","DrugBank_id": "NA"}
5-(methoxymethyl)-2-furoic acid
{"Ingredient_id": "HBIN011768","Ingredient_name": "5-(methoxymethyl)-2-furoic acid","Alias": "5-(methoxymethyl)furan-2-carboxylic acid; 5-Methoxymethyl-furan-2-carboxylic acid; BAS 01558170; 5-(methoxymethyl)-2-furancarboxylic acid; ST5254267","Ingredient_formula": "C7H8O4","Ingredient_Smile": "COCC1=CC=C(O1)C(=O)O","Ingredient_weight": "156.14 g/mol","OB_score": "30.23987558","CAS_id": "NA","SymMap_id": "SMIT04176","TCMID_id": "NA","TCMSP_id": "MOL001822","TCM_ID_id": "NA","PubChem_id": "1125227","DrugBank_id": "NA"}
